General Information of the Compound
| Compound ID |
CP0343074
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| Compound Name |
8-Cyano-1-(2-fluoro-benzyl)-7-(4-methoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid 1-ethyl-propyl ester
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| Structure |
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| Formula |
C37H38FN5O4
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| Molecular Weight |
635.74
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| Canonical SMILES |
CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C37H38FN5O4/c1-5-28(6-2)47-37(45)31-23-42(22-26-11-7-8-13-32(26)38)35-30(21-39)34(25-14-16-29(46-4)17-15-25)33(43(35)36(31)44)24-41(3)20-18-27-12-9-10-19-40-27/h7-17,19,23,28H,5-6,18,20,22,24H2,1-4H3
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| InChIKey |
YBCJKXKWUVGLAZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound